N-(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)-3-(4-nitropyrazol-1-yl)propanamide

Systemtic Name: N-(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)-3-(4-nitropyrazol-1-yl)propanamide Openeye Name: N-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-3-(4-nitropyrazol-1-yl)propanamide CAS Name: N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-(4-nitropyrazol-1-yl)propanamide Traditional Name: N-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-3-(4-nitropyrazol-1-yl)propionamide Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)O)C(C)C)NC(=O)CCN2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C(=C1)O)C(C)C)NC(=O)CCN2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O4/c1-10(2)13-7-14(11(3)6-15(13)21)18-16(22)4-5-19-9-12(8-17-19)20(23)24/h6-10,21H,4-5H2,1-3H3,(H,18,22)